Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0NM0P
|
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| Former ID |
DNC009338
|
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| Drug Name |
3-[5-(4-Hydroxyphenyl)-3-thienyl]phenol
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [529748] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C16H12O2S
|
||||
| Canonical SMILES |
C1=CC(=CC(=C1)O)C2=CSC(=C2)C3=CC=C(C=C3)O
|
||||
| InChI |
1S/C16H12O2S/c17-14-6-4-11(5-7-14)16-9-13(10-19-16)12-2-1-3-15(18)8-12/h1-10,17-18H
|
||||
| InChIKey |
JECPEAXUEYTRPA-UHFFFAOYSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Estradiol 17 beta-dehydrogenase 1 | Target Info | Inhibitor | [529748] | |
| Cytochrome P450 3A4 | Target Info | Inhibitor | [529748] | ||
| KEGG Pathway | Steroid hormone biosynthesis | ||||
| Metabolic pathways | |||||
| Ovarian steroidogenesishsa00140:Steroid hormone biosynthesis | |||||
| Linoleic acid metabolism | |||||
| Retinol metabolism | |||||
| Metabolism of xenobiotics by cytochrome P450 | |||||
| Drug metabolism - cytochrome P450 | |||||
| Drug metabolism - other enzymes | |||||
| Bile secretion | |||||
| Chemical carcinogenesis | |||||
| NetPath Pathway | FSH Signaling Pathway | ||||
| PANTHER Pathway | Androgen/estrogene/progesterone biosynthesis | ||||
| WikiPathways | Steroid Biosynthesis | ||||
| Metabolism of steroid hormones and vitamin D | |||||
| Prostate CancerWP702:Metapathway biotransformation | |||||
| Aflatoxin B1 metabolism | |||||
| Estrogen metabolism | |||||
| Benzo(a)pyrene metabolism | |||||
| Tamoxifen metabolism | |||||
| Tryptophan metabolism | |||||
| Oxidation by Cytochrome P450 | |||||
| Nuclear Receptors in Lipid Metabolism and Toxicity | |||||
| Nuclear Receptors Meta-Pathway | |||||
| Farnesoid X Receptor Pathway | |||||
| Vitamin D Receptor Pathway | |||||
| Felbamate Metabolism | |||||
| Lidocaine metabolism | |||||
| Nifedipine Activity | |||||
| Colchicine Metabolic Pathway | |||||
| Irinotecan Pathway | |||||
| Drug Induction of Bile Acid Pathway | |||||
| Fatty Acid Omega Oxidation | |||||
| Codeine and Morphine Metabolism | |||||
| References | |||||
| Ref 529748 | J Med Chem. 2008 Nov 13;51(21):6725-39. Epub 2008 Oct 15.Design, synthesis, biological evaluation and pharmacokinetics of bis(hydroxyphenyl) substituted azoles, thiophenes, benzenes, and aza-benzenes as potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1). | ||||
| Ref 529748 | J Med Chem. 2008 Nov 13;51(21):6725-39. Epub 2008 Oct 15.Design, synthesis, biological evaluation and pharmacokinetics of bis(hydroxyphenyl) substituted azoles, thiophenes, benzenes, and aza-benzenes as potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1). | ||||
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